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Details

Stereochemistry ACHIRAL
Molecular Formula C22H31N9O
Molecular Weight 437.5412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XL-228

SMILES

CC(C)C1=NOC(CNC2=NC(=CC(NC3=NNC(=C3)C4CC4)=N2)N5CCN(C)CC5)=C1

InChI

InChIKey=ALKJNCZNEOTEMP-UHFFFAOYSA-N
InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)

HIDE SMILES / InChI

Approval Year

Name Type Language
XL-228
Common Name English
2,4-PYRIMIDINEDIAMINE, N(SUP 4)-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)-N(SUP 2)-((3-(1-METHYLETHYL)-5-ISOXAZOLYL)METHYL)-6-(4-METHYL-1-PIPERAZINYL)-
Common Name English
EXEL-2280
Common Name English
XL228
Code English
Code System Code Type Description
DRUG BANK
DB05184
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
NCI_THESAURUS
C68929
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
CAS
898280-07-4
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
CAS
952306-27-3
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
NO STRUCTURE GIVEN
PUBCHEM
59757974
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545085
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
FDA UNII
33M2XSK003
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY